Chemical ID: 4066882

Cc1cccnc1NS(=O)(=O)c2ccccc2
Chemical ID:
4066882
Name [?]:
N-(3-methyl-2-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1cccnc1NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C12H12N2O2S/c1-10-6-5-9-13-12(10)14-17(15,16)11-7-3-2-4-8-11/h2-9H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,4,3,13,17,5,2,12,7,6,8,10,11,9/E:(3,4)(7,8)(15,16)/CRV:17.6/rA:17nCCCCCNCNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.62053
Area:401.713
Solvation:-2.42229
Coulombic:-17.8959
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.302
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.42
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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